1-piperidin-4-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxamide

C13H19N7OS — CID 119688117

IUPAC1-piperidin-4-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxamide
SMILESCCCc1nnc(NC(=O)c2cn(C3CCNCC3)nn2)s1
InChIInChI=1S/C13H19N7OS/c1-2-3-11-17-18-13(22-11)15-12(21)10-8-20(19-16-10)9-4-6-14-7-5-9/h8-9,14H,2-7H2,1H3,(H,15,18,21)
InChIKeyYSMPJFXILZXTTL-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.26
Rot. Bonds5

About 1-piperidin-4-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxamide

1-piperidin-4-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxamide (PubChem CID 119688117) has the molecular formula C13H19N7OS and a molecular weight of 321.41 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-piperidin-4-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxamide
PubChem CID119688117
Molecular FormulaC13H19N7OS
Molecular Weight321.41 g/mol
Exact Mass321.14
IUPAC Name1-piperidin-4-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxamide
SMILESCCCc1nnc(NC(=O)c2cn(C3CCNCC3)nn2)s1
InChIInChI=1S/C13H19N7OS/c1-2-3-11-17-18-13(22-11)15-12(21)10-8-20(19-16-10)9-4-6-14-7-5-9/h8-9,14H,2-7H2,1H3,(H,15,18,21)
InChIKeyYSMPJFXILZXTTL-UHFFFAOYSA-N
XLogP1.26
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 86780246
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119705877
N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119777299
N-(5-ethyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119755289
1-piperidin-4-yl-N-(2-propylphenyl)triazole-4-carboxamide
CID 75419659
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119745115
1-piperidin-4-yl-N-[4-(propylsulfonylamino)phenyl]triazole-4-carboxamide;hydrochloride
CID 119754212
N-[3-(dipropylamino)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119861207
N-(3-methylpentan-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119785981
N-[2-(ethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119714079
N-(2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670454
N-heptan-2-yl-1-piperidin-4-yltriazole-4-carboxamide
CID 63283433

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxamide?
The IUPAC name of 1-piperidin-4-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxamide (CID 119688117) is 1-piperidin-4-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxamide.
What is the SMILES notation for 1-piperidin-4-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxamide?
The canonical SMILES for 1-piperidin-4-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxamide is CCCc1nnc(NC(=O)c2cn(C3CCNCC3)nn2)s1.
What is the InChIKey of 1-piperidin-4-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxamide?
The InChIKey is YSMPJFXILZXTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7OS/c1-2-3-11-17-18-13(22-11)15-12(21)10-8-20(19-16-10)9-4-6-14-7-5-9/h8-9,14H,2-7H2,1H3,(H,15,18,21).
What are the key properties of 1-piperidin-4-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxamide?
1-piperidin-4-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxamide has a molecular weight of 321.41 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxamide is sourced from PubChem (CID 119688117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).